2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016068 |
| Compound Name: | 2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-3-cyclohexyl-N-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 569.68 |
| Molecular Formula: | C31 H31 N5 O4 S |
| Smiles: | COc1ccc(cc1OC)NC(c1ccc2C(N(C3CCCCC3)C(=Nc2c1)SCc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3518 |
| logD: | 5.349 |
| logSw: | -5.2339 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.626 |
| InChI Key: | PUROPNSFMKLODP-UHFFFAOYSA-N |